| CAS Number | 139192-88-4 |
| Catalog Number | AG01DYQ7(AGN-PC-06OPOM) |
| Chemical Name | 5-Bromo-2-(methylsulfanyl)aniline |
| IUPAC Name | 5-bromo-2-methylsulfanylaniline |
| InChI | InChI=1S/C7H8BrNS/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3 |
| InChI Key | SYCSDMMOTOYBQS-UHFFFAOYSA-N |
| MDL Number | MFCD11636918 |
| Molecular Formula | C7H8BrNS |
| Molecular Weight | 218.1141 |
| SMILES | CSC1=C(N)C=C(Br)C=C1 |
| Synonyms | SCHEMBL3868827,
5-bromo-2-(methylsulfanyl)aniline,
AKOS009453691,
139192-88-4,
5-bromo-2-(methylthio)aniline,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.112g/mol |
| Monoisotopic Mass | 216.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number